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Compounds

COMPOUND NPA018502

STRUCTURE

Image structure

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PROJECT MOLECULE TO GLOBAL VIEW	See Global

EXTERNAL LINKS

PROPERTIES

NPAID	NPA018502
CLUSTER ID	391
NODE ID	352
NAME	ß-ergokryptam
FORMULA	C32H41N5O4
MOLECULAR WEIGHT (Da)	559.7110
ACCURATE MASS (Da)	559.3159
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Claviceps
ORIGIN SPECIES	purpurea D-3-18
InChIKey	HKVSEIVDIONNKB-YIKRPKMRSA-N
InChI	InChI=1S/C32H41N5O4/c1-6-18(4)28-32(41)36-12-8-11-24(36)30(39)37(28)31(40)27(17(2)3)34-29(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-25(22)35(5)16-20/h7,9-10,13,15,17-18,20,24-25,27-28,33H,6,8,11-12,14,16H2,1-5H3,(H,34,38)/t18-,20+,24+,25?,27+,28-/m0/s1
SMILES	CC[C@H](C)[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1C(=O)[C@@H](C(C)C)NC(=O)[C@H]3CN(C4CC5=CNC6=CC=CC(=C56)C4=C3)C

ORIGINAL ISOLATION REFERENCE

CITATION	Flieger, N.; Sedmera, P.; Vokoun, J.; Řeháček, Z.; Stuchlik, J.; Malinka, Z.; Cvak, L.; Harazim, P. New Alkaloids From a Saprophytic Culture of Claviceps purpurea Journal of Natural Products 1984 47 (6) 970-976.
DOI	10.1021/np50036a010	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Sordariomycetes	MycoBank	147550
Order	Hypocreales	MycoBank	5125
Family	Clavicipitaceae	MycoBank	34397
Genus	Claviceps	MycoBank	5110

CLASSYFIRE

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DESCRIPTION	[[ getValue('description') ]]
KINGDOM	[[ getValue('kingdom') ]]
SUPER CLASS	[[ getValue('superclass') ]]
CLASS	[[ getValue('class') ]]
SUB CLASS	[[ getValue('subclass') ]]
MOLECULAR FRAMEWORK	[[ getValue('molecular_framework') ]]

NP CLASSIFIER

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SUPER CLASS	[[ getValue('superclass_results') ]]
CLASS	[[ getValue('class_results') ]]
PATHWAY	[[ getValue('pathway_results') ]]
IS GLYCOSIDE?	[[ getValue('isglycoside') ]]

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